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Polar Solvation Dynamics: Theory and Simulations

✍ Scribed by Abraham Nitzan

Publisher
John Wiley and Sons
Year
2003
Weight
47 KB
Volume
34
Category
Article
ISSN
0931-7597

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πŸ“œ SIMILAR VOLUMES

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## Abstract Using molecular dynamics simulation, we present new results for the free energy of solvation for solvents with low dielectric constants (CCl~4~, CHCl~3~, benzene). The solvation free energy is computed as the sum of three contributions originated at the cavitation of the solute by the s

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